%chk=000138285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138285

0 1
 O   -8.134400      0.8765000      0.9009000    
 O    8.069900      -1.037800      0.7989000    
 N   -5.950900      3.3399999E-02  0.6853000    
 N    5.927300     -7.6899998E-02  0.6993000    
 C  -0.6757000      0.3395000     -0.4112000    
 C   0.7321000     -0.2604000     -0.4324000    
 C   -1.744300     -0.7553000     -0.4240000    
 C    1.802800      0.8311000     -0.3872000    
 C   -3.174300     -0.2108000     -0.4946000    
 C    3.210000      0.2330000     -0.4418000    
 C   -4.287800      -1.263000     -0.5612000    
 C    4.279500       1.329000     -0.4370000    
 C   -5.704800     -0.6990000     -0.5576000    
 C    5.694500      0.7630000     -0.4767000    
 C   -7.042000      0.4540000      0.7915000    
 C    6.998000     -0.5561000      0.7476000    
 H  -0.8021000      0.9623000      0.4825000    
 H  -0.8081000      0.9923000      -1.282300    
 H   0.8587000     -0.9333000      0.4244000    
 H   0.8593000     -0.8639000      -1.339400    
 H   -1.640800      -1.376800      0.4739000    
 H   -1.577200      -1.413900      -1.285300    
 H    1.688700       1.421800      0.5298000    
 H    1.663000       1.515800      -1.232600    
 H   -3.261700      0.4408000      -1.373400    
 H   -3.335800      0.4304000      0.3807000    
 H    3.317500     -0.3765000      -1.347300    
 H    3.346200     -0.4356000      0.4163000    
 H   -4.150500      -1.865500      -1.467300    
 H   -4.174700      -1.945600      0.2906000    
 H    4.134700       1.988100      -1.301400    
 H    4.161100       1.946200      0.4624000    
 H   -5.833600     -3.9500002E-02  -1.426200    
 H   -6.413100      -1.532100     -0.6613000    
 H    6.406700       1.598800     -0.4991000    
 H    5.828700      0.1841000      -1.400600    


%chk=000138285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138285

0 1
O -7.414933 1.239929 2.131748
O 7.444931 -1.301172 2.103133
N -6.012789 -0.052681 0.616165
N 6.029859 0.050189 0.652216
C -0.712593 0.292945 -0.576611
C 0.729989 -0.258669 -0.626415
C -1.792977 -0.810037 -0.637934
C 1.806462 0.847092 -0.547367
C -3.232027 -0.249679 -0.593107
C 3.249341 0.296176 -0.582608
C -4.309664 -1.353493 -0.620916
C 4.316880 1.407831 -0.505699
C -5.751930 -0.804684 -0.597329
C 5.764426 0.873015 -0.513294
C -6.766750 0.585264 1.327133
C 6.790192 -0.613884 1.331712
H -0.846850 0.882871 0.353961
H -0.863207 1.001710 -1.417962
H 0.878059 -0.973576 0.209765
H 0.869119 -0.840804 -1.561465
H -1.646519 -1.512249 0.209396
H -1.656128 -1.407008 -1.564170
H 1.661236 1.431091 0.385401
H 1.661600 1.560120 -1.386413
H -3.386069 0.437549 -1.451756
H -3.364611 0.358496 0.323422
H 3.397188 -0.292648 -1.512368
H 3.398398 -0.405709 0.261709
H -4.200301 -1.965769 -1.538863
H -4.170345 -2.033693 0.241859
H 4.209070 2.095000 -1.369309
H 4.162980 2.010568 0.410358
H -5.912654 -0.146230 -1.475482
H -6.474891 -1.641540 -0.671198
H 6.479058 1.720009 -0.533432
H 5.933349 0.271767 -1.430079


